SCHEMBL1124029

SCHEMBL1124029

CN(C)c1cc(N2CCOCC2)nc(N2CCN(Cc3ccccc3)CC2)n1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 7/20 0.61
CASP5 P51878 7/20 0.61
CASP4 P49662 6/20 0.49
NPSR1 Q6W5P4 2/20 0.47
ALDH1A1 P00352 1/20 0.47
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 2/20 0.45
HTT P42858 2/20 0.45
PKM P14618 2/20 0.45
CRHBP P24387 1/20 0.45
PIK3CB P42338 1/20 0.45
CRHR2 Q13324 1/20 0.45
LMNA P02545 2/20 0.45
HRH4 Q9H3N8 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1123752 0.88 CASP1 (0.78) CASP1CASP5CASP4GAAKMT2A
SCHEMBL1123878 0.86 KMT2A (0.52) NPSR1ALDH1A1KDM4EGAAMAPT
SCHEMBL3991347 0.84 CASP1 (0.67) CASP1CASP5CASP4KDM4EGAA
SCHEMBL3244102 0.81 CASP1 (0.55) CASP1CASP5NPSR1ALDH1A1KDM4E
SCHEMBL13596152 0.76 SIGMAR1 (0.54) CASP1CASP5CASP4ALDH1A1GAA
SCHEMBL1123839 0.76 ALDH1A1 (0.48) CASP1CASP5NPSR1ALDH1A1KDM4E
SCHEMBL3994777 0.76 PIK3CA (0.72) CASP1CASP5PIK3CB
SCHEMBL10848170 0.74 CASP1 (0.75) CASP1CASP5CASP4NPSR1GAA
SCHEMBL1124078 0.74 GAA (0.55) CASP1CASP5ALDH1A1KDM4EGAA
SCHEMBL1124173 0.74 CASP1 (0.52) CASP1CASP5ALDH1A1KDM4EGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152519-A1 PYRIMIDINE DERIVATIVE HAVING CELL PROTECTING EFFECT AND USES THEREOF ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2011-06-23 US claimed
EP-2284160-A1 PYRIMIDINE DERIVATIVE HAVING CELL-PROTECTING ACTIVITY AND USE THEREOF ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2011-02-16 EP claimed
US-8563715-B2 Pyrimidine derivative having cell protecting effect and uses thereof ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2013-10-22 US disclosed
US-8563715-B2 Pyrimidine derivative having cell protecting effect and uses thereof ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2013-10-22 US disclosed
US-8563715-B2 Pyrimidine derivative having cell protecting effect and uses thereof ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2013-10-22 US disclosed
EP-2284160-B1 PYRIMIDINE DERIVATIVE HAVING CELL-PROTECTING ACTIVITY AND USE THEREOF ZENYAKU KOGYO KK (JP) 2013-05-15 EP disclosed
US-20110152519-A1 PYRIMIDINE DERIVATIVE HAVING CELL PROTECTING EFFECT AND USES THEREOF ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2011-06-23 US disclosed
US-20110152519-A1 PYRIMIDINE DERIVATIVE HAVING CELL PROTECTING EFFECT AND USES THEREOF ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2011-06-23 US disclosed
US-20110152519-A1 PYRIMIDINE DERIVATIVE HAVING CELL PROTECTING EFFECT AND USES THEREOF ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2011-06-23 US disclosed
EP-2284160-A1 PYRIMIDINE DERIVATIVE HAVING CELL-PROTECTING ACTIVITY AND USE THEREOF ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2011-02-16 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110152519-A1 PYRIMIDINE DERIVATIVE HAVING CELL PROTECTING EFFECT AND USES THEREOF CASP3, DPYD, CASP1 CASP1 3/4885CASP5 32/4885CASP4 27/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.